N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol

C28H38F2N8O3 — CID 176684961

About N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol

N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol (PubChem CID 176684961) has the molecular formula C28H38F2N8O3 and a molecular weight of 572.66 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol
• PubChem CID: 176684961
• Molecular Formula: C28H38F2N8O3
• Molecular Weight: 572.66 g/mol
• Exact Mass: 572.30
• IUPAC Name: N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol
• SMILES: CN1CCC(O)CC1.O=C(Nc1cn(C2CCCCC2)nc1C(F)F)c1cnn2ccc(N3C[C@H]4CC3CO4)nc12
• InChI: InChI=1S/C22H25F2N7O2.C6H13NO/c23-20(24)19-17(11-31(28-19)13-4-2-1-3-5-13)26-22(32)16-9-25-30-7-6-18(27-21(16)30)29-10-15-8-14(29)12-33-15;1-7-4-2-6(8)3-5-7/h6-7,9,11,13-15,20H,1-5,8,10,12H2,(H,26,32);6,8H,2-5H2,1H3/t14?,15-;/m1./s1
• InChIKey: RJJOYERUKCHANM-NUNOUFIPSA-N
• XLogP: 3.67
• TPSA: 113.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.66
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol?

The IUPAC name of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol (CID 176684961) is N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol.

What is the SMILES notation for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol?

The canonical SMILES for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol is CN1CCC(O)CC1.O=C(Nc1cn(C2CCCCC2)nc1C(F)F)c1cnn2ccc(N3C[C@H]4CC3CO4)nc12.

What is the InChIKey of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol?

The InChIKey is RJJOYERUKCHANM-NUNOUFIPSA-N. The full InChI is InChI=1S/C22H25F2N7O2.C6H13NO/c23-20(24)19-17(11-31(28-19)13-4-2-1-3-5-13)26-22(32)16-9-25-30-7-6-18(27-21(16)30)29-10-15-8-14(29)12-33-15;1-7-4-2-6(8)3-5-7/h6-7,9,11,13-15,20H,1-5,8,10,12H2,(H,26,32);6,8H,2-5H2,1H3/t14?,15-;/m1./s1.

What are the key properties of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol?

N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol has a molecular weight of 572.66 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol is sourced from PubChem (CID 176684961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).